2015-02-25 00:29:22 +08:00
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This directory contains libraries that can be linked to when building
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LAMMPS, if particular packages are included in the LAMMPS build.
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Most of these directories contain code for the library; some contain
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a Makefile.lammps file that points to where the library is installed
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elsewhere on your system.
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In either case, the library itself must be installed and/or built
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first, so that the appropriate library files exist for LAMMPS to link
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against.
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2006-09-28 03:51:08 +08:00
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2011-08-19 01:32:05 +08:00
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Each library directory contains a README with additional info about
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2015-01-09 06:46:24 +08:00
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how to acquire and/or build the library. This may require you to edit
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one of the provided Makefiles to make it suitable for your machine.
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2006-09-28 03:51:08 +08:00
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2015-02-25 00:29:22 +08:00
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The libraries in this directory are the following:
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2006-09-28 03:51:08 +08:00
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2011-08-19 01:32:05 +08:00
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atc atomistic-to-continuum methods, USER-ATC package
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2009-09-25 00:33:23 +08:00
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from Reese Jones, Jeremy Templeton, Jon Zimmerman (Sandia)
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2011-08-19 01:32:05 +08:00
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awpmd antisymmetrized wave packet molecular dynamics, AWPMD package
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2011-06-14 06:22:33 +08:00
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from Ilya Valuev (JIHT RAS)
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2012-06-02 01:21:22 +08:00
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colvars collective variable module (Metadynamics, ABF and more)
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from Giacomo Fiorin and Jerome Henin (ICMS, Temple U)
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2015-08-19 23:15:32 +08:00
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compress hook to system lib for performing I/O compression, COMPRESS pkg
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from Axel Kohlmeyer (Temple U)
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2012-01-07 01:42:50 +08:00
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cuda NVIDIA GPU routines, USER-CUDA package
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2011-08-19 01:32:05 +08:00
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from Christian Trott (U Tech Ilmenau)
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2012-06-14 00:40:16 +08:00
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gpu general GPU routines, GPU package
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2011-08-19 01:32:05 +08:00
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from Mike Brown (ORNL)
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2015-08-19 23:43:07 +08:00
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h5md ch5md library for output of MD data in HDF5 format
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from Pierre de Buyl (KU Leuven)
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2015-01-09 23:52:23 +08:00
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kim hooks to the KIM library, used by KIM package
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2015-01-09 06:46:24 +08:00
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from Ryan Elliott and Ellad Tadmor (U Minn)
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2014-05-30 06:52:05 +08:00
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kokkos Kokkos package for GPU and many-core acceleration
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from Kokkos development team (Sandia)
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2012-01-07 01:42:50 +08:00
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linalg set of BLAS and LAPACK routines needed by USER-ATC package
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from Axel Kohlmeyer (Temple U)
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2011-08-19 01:32:05 +08:00
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poems POEMS rigid-body integration package, POEMS package
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from Rudranarayan Mukherjee (RPI)
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meam modified embedded atom method (MEAM) potential, MEAM package
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2009-09-25 00:33:23 +08:00
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from Greg Wagner (Sandia)
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2015-01-09 23:52:23 +08:00
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molfile hooks to VMD molfile plugins, used by the USER-MOLFILE package
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from Axel Kohlmeyer (Temple U) and the VMD development team
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2015-03-18 00:06:12 +08:00
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python hooks to the system Python library, used by the PYTHON package
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from the LAMMPS development team
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2014-04-05 04:08:01 +08:00
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qmmm quantum mechanics/molecular mechanics coupling interface
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from Axel Kohlmeyer (Temple U)
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2015-02-25 00:29:22 +08:00
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quip interface to QUIP/libAtoms framework, USER-QUIP package
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from Albert Bartok-Partay and Gabor Csanyi (U Cambridge)
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2011-08-19 01:32:05 +08:00
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reax ReaxFF potential, REAX package
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2009-09-25 00:33:23 +08:00
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from Adri van Duin (Penn State) and Aidan Thompson (Sandia)
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2015-08-05 03:55:02 +08:00
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smd hooks to Eigen library, used by USER-SMD package
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from Georg Ganzenmueller (Ernst Mach Institute, Germany)
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2015-01-09 23:52:23 +08:00
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voronoi hooks to the Voro++ library, used by compute voronoi/atom command
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2015-01-09 06:46:24 +08:00
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from Daniel Schwen (LANL)
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